2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone

C17H26N2O4 — CID 170896236

IUPAC2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone
SMILESCCCc1c(O)c(C(=O)CN(C)C)cc(C(=O)CN(C)C)c1O
InChIInChI=1S/C17H26N2O4/c1-6-7-11-16(22)12(14(20)9-18(2)3)8-13(17(11)23)15(21)10-19(4)5/h8,22-23H,6-7,9-10H2,1-5H3
InChIKeyZBFGKDVQNCNRPM-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.54
Rot. Bonds8

About 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone

2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone (PubChem CID 170896236) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone
PubChem CID170896236
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone
SMILESCCCc1c(O)c(C(=O)CN(C)C)cc(C(=O)CN(C)C)c1O
InChIInChI=1S/C17H26N2O4/c1-6-7-11-16(22)12(14(20)9-18(2)3)8-13(17(11)23)15(21)10-19(4)5/h8,22-23H,6-7,9-10H2,1-5H3
InChIKeyZBFGKDVQNCNRPM-UHFFFAOYSA-N
XLogP1.54
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone (CID 170896236) is 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone is CCCc1c(O)c(C(=O)CN(C)C)cc(C(=O)CN(C)C)c1O.
What is the InChIKey of 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone?
The InChIKey is ZBFGKDVQNCNRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-6-7-11-16(22)12(14(20)9-18(2)3)8-13(17(11)23)15(21)10-19(4)5/h8,22-23H,6-7,9-10H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone?
2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone is sourced from PubChem (CID 170896236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).